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Add Schwenke's gas phase H2O analytical potential
GFortran CI #985: Pull request #166 synchronize by danielhollas
January 25, 2024 16:57 Startup failure schwenke-water-potential
January 25, 2024 16:57 Startup failure
Add Schwenke's gas phase H2O analytical potential
GFortran CI #984: Pull request #166 synchronize by danielhollas
January 25, 2024 16:36 3m 16s schwenke-water-potential
January 25, 2024 16:36 3m 16s
Add Schwenke's gas phase H2O analytical potential
GFortran CI #983: Pull request #166 synchronize by danielhollas
January 25, 2024 15:35 2m 48s schwenke-water-potential
January 25, 2024 15:35 2m 48s
Bring back TeraChem file interface (#165)
GFortran CI #982: Commit a70a2cd pushed by danielhollas
January 25, 2024 14:24 2m 48s master
January 25, 2024 14:24 2m 48s
Bring back TeraChem file interface
GFortran CI #981: Pull request #165 synchronize by danielhollas
January 25, 2024 14:16 3m 30s file-tc-interface
January 25, 2024 14:16 3m 30s
Add Schwenke's gas phase H2O analytical potential
GFortran CI #980: Pull request #166 synchronize by danielhollas
January 19, 2024 14:00 2m 39s schwenke-water-potential
January 19, 2024 14:00 2m 39s
Bring back TeraChem file interface
GFortran CI #979: Pull request #165 synchronize by danielhollas
January 15, 2024 18:49 2m 49s file-tc-interface
January 15, 2024 18:49 2m 49s
Bring back TeraChem file interface
GFortran CI #978: Pull request #165 synchronize by danielhollas
January 15, 2024 18:17 3m 8s file-tc-interface
January 15, 2024 18:17 3m 8s
GHA: Use CODECOV_TOKEN to reduce failed uploads (#170)
GFortran CI #977: Commit 443b0d3 pushed by danielhollas
January 15, 2024 18:16 3m 19s master
January 15, 2024 18:16 3m 19s
GHA: Use CODECOV_TOKEN to reduce failed uploads
GFortran CI #976: Pull request #170 synchronize by danielhollas
January 15, 2024 17:42 3m 43s codecov-token
January 15, 2024 17:42 3m 43s
GHA: Use CODECOV_TOKEN to reduce failed uploads
GFortran CI #975: Pull request #170 synchronize by danielhollas
January 15, 2024 17:10 3m 54s codecov-token
January 15, 2024 17:10 3m 54s
GHA: Use CODECOV_TOKEN to reduce failed uploads
GFortran CI #974: Pull request #170 opened by danielhollas
January 15, 2024 16:47 2m 32s codecov-token
January 15, 2024 16:47 2m 32s
Bring back TeraChem file interface
GFortran CI #973: Pull request #165 synchronize by danielhollas
January 15, 2024 15:56 1m 25s file-tc-interface
January 15, 2024 15:56 1m 25s
BAGEL interface for XMS and MS-CASPT2 in FSSH and LZSH (#153)
GFortran CI #972: Commit f25a007 pushed by danielhollas
January 15, 2024 14:50 6m 4s master
January 15, 2024 14:50 6m 4s
BAGEL interface for XMS and MS-CASPT2 in FSSH and LZSH
GFortran CI #971: Pull request #153 synchronize by danielhollas
December 14, 2023 11:10 3m 21s bagel
December 14, 2023 11:10 3m 21s
Add eshift to restart file to preserve continuity
GFortran CI #970: Pull request #168 synchronize by danielhollas
December 12, 2023 18:50 12m 16s fix-sh-restart
December 12, 2023 18:50 12m 16s
Bring back TeraChem file interface
GFortran CI #969: Pull request #165 synchronize by danielhollas
December 12, 2023 18:49 11m 35s file-tc-interface
December 12, 2023 18:49 11m 35s
Fix regex in fprettify
GFortran CI #968: Commit 81fdc94 pushed by danielhollas
December 12, 2023 18:48 10m 14s master
December 12, 2023 18:48 10m 14s
Fix intel test
GFortran CI #967: Pull request #169 opened by danielhollas
December 12, 2023 18:37 10m 32s fix-intel-test
December 12, 2023 18:37 10m 32s
BAGEL interface for XMS and MS-CASPT2 in FSSH and LZSH
GFortran CI #966: Pull request #153 synchronize by danielhollas
December 12, 2023 18:17 2m 56s bagel
December 12, 2023 18:17 2m 56s
BAGEL interface for XMS and MS-CASPT2 in FSSH and LZSH
GFortran CI #965: Pull request #153 synchronize by danielhollas
December 12, 2023 14:20 2m 50s bagel
December 12, 2023 14:20 2m 50s
BAGEL interface for XMS and MS-CASPT2 in FSSH and LZSH
GFortran CI #964: Pull request #153 synchronize by danielhollas
December 11, 2023 20:56 3m 41s bagel
December 11, 2023 20:56 3m 41s
BAGEL interface for XMS and MS-CASPT2 in FSSH and LZSH
GFortran CI #963: Pull request #153 synchronize by danielhollas
December 11, 2023 20:37 2m 48s bagel
December 11, 2023 20:37 2m 48s
BAGEL interface for XMS and MS-CASPT2 in FSSH and LZSH
GFortran CI #962: Pull request #153 synchronize by danielhollas
December 11, 2023 20:19 2m 52s bagel
December 11, 2023 20:19 2m 52s
BAGEL interface for XMS and MS-CASPT2 in FSSH and LZSH
GFortran CI #961: Pull request #153 synchronize by danielhollas
December 11, 2023 20:05 2m 19s bagel
December 11, 2023 20:05 2m 19s